Method to construct protein structures
US6490532B1 · kind B1 · utility
9Cited by
2References
13Claims
0Family size
Assignee
Inventors
Key dates
| Filing date | Jan 25, 2000 |
| Grant date | Dec 3, 2002 |
| Priority date | — |
| Expiry date | Jan 25, 2020 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B15/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
A computer-implemented method for creating all-atom, real-space protein conformers. The method involves constructing a backbone structure of &agr;-carbons of a protein from the amino acid sequence of the protein by adding and removing carbon atoms through chain elongation and backtracking. An atom is positioned based on a predicted two-dimensional space, and backtracking removes an atom if it is closer to its neighbour than allowed by van der Waals radii. The method also involves positioning &bgr; carbons, C, N, and O atoms to provide favourable bond lengths and bond angles, and positioning sidechain rotamers.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.